SEQ2FUN

BioLiP

PDB CCD ID: S0C
Number of entries in BioLiP: 1
Chemical formula: C10 H14 N2 O S
InChI: InChI=1S/C10H14N2OS/c13-9(7-8-3-1-2-4-8)12-10-11-5-6-14-10/h5-6,8H,1-4,7H2,(H,11,12,13)
InChIKey: VVQKQIRCLCVCAT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(Nc1nccs1)CC2CCCC2
OpenEye OEToolkits 1.7.6c1csc(n1)NC(=O)CC2CCCC2
CACTVS 3.385O=C(CC1CCCC1)Nc2sccn2
Name:2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
ChEMBL: CHEMBL3233604
ZINC: ZINC000003549666
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).